1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine

C4H10IN3 — CID 139316959

IUPAC1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine
SMILESC/N=C/C(NC)NI
InChIInChI=1S/C4H10IN3/c1-6-3-4(7-2)8-5/h3-4,7-8H,1-2H3/b6-3+
InChIKeyXKOBISFHEUKQBS-ZZXKWVIFSA-N
MW227.05 g/mol
LogP0.17
Rot. Bonds3

About 1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine

1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine (PubChem CID 139316959) has the molecular formula C4H10IN3 and a molecular weight of 227.05 g/mol. Its IUPAC name is 1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine
PubChem CID139316959
Molecular FormulaC4H10IN3
Molecular Weight227.05 g/mol
Exact Mass226.99
IUPAC Name1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine
SMILESC/N=C/C(NC)NI
InChIInChI=1S/C4H10IN3/c1-6-3-4(7-2)8-5/h3-4,7-8H,1-2H3/b6-3+
InChIKeyXKOBISFHEUKQBS-ZZXKWVIFSA-N
XLogP0.17
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.05
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-5-imidazoline
CID 14151220
1-[(Z)-2-fluoroethylideneamino]-N-methylmethanamine
CID 143712899
2-N'-ethylimidazole-2,2-diamine
CID 18504978
N-methyl-2-methyliminoethanamine
CID 54033446
N-ethyl-1-[(Z)-ethylideneamino]ethanamine
CID 60077843
1-(Ethylideneamino)ethan-1-amine
CID 71330898
N-ethyl-1-(ethylideneamino)ethanamine
CID 72642275
N-ethyl-2-methyliminoethanamine
CID 87839319
N-ethyl-2-ethyliminoethanamine
CID 88210526
3-methyl-2,5-dihydro-1H-imidazol-3-ium
CID 90873020
2,5-dihydro-1H-imidazole;ethane
CID 91210345
ethane;N-ethyl-1-(ethylideneamino)ethanamine
CID 91225328

Frequently Asked Questions

What is the IUPAC name of 1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine?
The IUPAC name of 1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine (CID 139316959) is 1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine.
What is the SMILES notation for 1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine?
The canonical SMILES for 1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine is C/N=C/C(NC)NI.
What is the InChIKey of 1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine?
The InChIKey is XKOBISFHEUKQBS-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H10IN3/c1-6-3-4(7-2)8-5/h3-4,7-8H,1-2H3/b6-3+.
What are the key properties of 1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine?
1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine has a molecular weight of 227.05 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-iodo-1-N-methyl-2-methyliminoethane-1,1-diamine is sourced from PubChem (CID 139316959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).